GIM

GLUCOIMIDAZOLE

Created:	2006-02-10
Last modified:	2021-03-13

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7 entries where GIM is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	27
Chiral Atom Count	4
Bond Count	28
Aromatic Bond Count	5

2D diagram of GIM

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Chemical Component Summary
Name	GLUCOIMIDAZOLE
Synonyms	(5S,6S,7R,8R)-5-(HYDROXYMETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
Systematic Name (OpenEye OEToolkits)	(5R,6R,7S,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-imidazo[2,1-f]pyridin-4-ium-6,7,8-triol
Formula	C₈ H₁₃ N₂ O₄
Molecular Weight	201.2
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OCC2[n+]1ccnc1C(O)C(O)C2O
SMILES	CACTVS	3.341	OC[CH]1[CH](O)[CH](O)[CH](O)c2[nH]cc[n+]12
SMILES	OpenEye OEToolkits	1.5.0	c1c[n+]2c([nH]1)C(C(C(C2CO)O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2[nH]cc[n+]12
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O
InChI	InChI	1.03	InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/p+1/t4-,5-,6+,7-/m1/s1
InChIKey	InChI	1.03	RZRDQZQPTISYKY-MVIOUDGNSA-O

Related Resource References

Resource Name	Reference
PubChem	49867039

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